G879-1498 Screening compound: 3-(4-bromophenyl)-5-[(4-methoxyphenyl)methyl]-1,6-dihydro-1,2,4-triazin-6-one

G879-1498 Screening compound: 3-(4-bromophenyl)-5-[(4-methoxyphenyl)methyl]-1,6-dihydro-1,2,4-triazin-6-one
G879-1498 Screening compound: 3-(4-bromophenyl)-5-[(4-methoxyphenyl)methyl]-1,6-dihydro-1,2,4-triazin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G879-1498
3-(4-bromophenyl)-5-[(4-methoxyphenyl)methyl]-1,6-dihydro-1,2,4-triazin-6-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G879-1498

Molecular Formula

C17H14BrN3O2 (C17 H14 BrN3 O2)

Compound Name

3-(4-bromophenyl)-5-[(4-methoxyphenyl)methyl]-1,6-dihydro-1,2,4-triazin-6-one

IUPAC name

3-(4-bromophenyl)-5-[(4-methoxyphenyl)methyl]-16-dihydro-124-triazin-6-one

SMILES

COc1ccc(CC2=NC(c(cc3)ccc3Br)=NNC2=O)cc1

InChI

InChI=1S/C17H14BrN3O2/c1-23-14-8-2-11(3-9-14)10-15-17(22)21-20-16(19-15)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3,(H,21,22)

InChI Key

SJDNOEGOJZEJHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.655

Distribution Coefficient, logD

3.655

Water Solubility, LogSw

-3.97

Polar Surface Area

53.852

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

G879-1498 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with G879-1498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G879-1498?
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What is the minimum amount of G879-1498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G879-1498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G879-1498
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G879-1498 available by request